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CAS Number: 3648-86-0
7-methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one

Structure

7-methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
Name: 7-methoxy-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one
Synonyms:
General Information
Product Number: 3648860

CAS Registry Number 3648-86-0
Name:
1H-​2-​Benzazepin-​1-​one, 2,​3,​4,​5-​tetrahydro-​7-​methoxy-
7-Methoxy-2,3,4,5-tetrahydrobenzo[c]azepin-1-one

 

Chemical Formula: C11H13NO2
Exact Mass: 191.09
Molecular Weight: 191.23
m/z: 191.09 (100.0%), 192.10 (12.1%), 193.10 (1.1%)

 

InChI:InChI=1S/C11H13NO2/c1-14-9-4-5-10-8(7-9)3-2-6-12-11(10)13/h4-5,7H,2-3,6H2,1H3,(H,12,13)

InChI Key:UHZFXZPXSCTPSC-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)C(=O)NCCC2

 

Thermal Properties Value Condition Note
Melting Point 163.1-164.0 °C   (2)CAS
Melting Point 159.9-162.1 °C   (3)CAS
Melting Point 159-160 °C   (4)IC
Melting Point 156-158 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (1)CAS

Specification

98%

References
  1. (1) Crosby, Ian T.; Australian Journal of Chemistry 2010, V63(2), P211-226 CAPLUS
  2. (2) Wei, Cheng-Xi; Letters in Drug Design & Discovery 2009, V6(7), P549-553 CAPLUS
  3. (3) Ortega, Raquel; Bioorganic & Medicinal Chemistry Letters 2011, V21(9), P2670-2674 CAPLUS
  4. (4) Sawa, Yoichi; Chemical & Pharmaceutical Bulletin 1975, V23(9), P1917-27 CAPLUS
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